1mg2

MUTATION OF ALPHA PHE55 OF METHYLAMINE DEHYDROGENASE ALTERS THE REORGANIZATION ENERGY AND ELECTRONIC COUPLING FOR ITS ELECTRON TRANSFER REACTION WITH AMICYANIN

Method: X-RAY DIFFRACTION Dmax: 191.7 Å Quality: GOOD

1. 蛋白身份与相关结构 Protein Identity & Related Structures

Methylamine dehydrogenase, heavy chain

Paracoccus denitrificans

UniProt P29894

当前结构中的状态

Assembly 聚集状态 构建体 突变与修饰 配体、离子与共同组分 实验方法与环境 结构质量
1 蛋白异源复合物 异源复合物 蛋白 × 8 PDB 声明:octameric(8) 与蛋白拷贝数一致 链 A; UniProt 28–417 链 E; UniProt 28–417 突变:alpha F55A of methylamine dehydrogenase Methylamine dehydrogenase, light chain × 2 (P22619) Amicyanin × 2 (P22364) CYTOCHROME C-L × 2 (P29889) PO4 PHOSPHATE ION × 4 CU COPPER (II) ION × 2 NA SODIUM ION × 2 HEC HEME C × 2 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, SITTING DROP;pH 5;295 K;phosphate, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K 分辨率 2.25 Å R-free 0.210
2 蛋白异源复合物 异源复合物 蛋白 × 8 PDB 声明:octameric(8) 与蛋白拷贝数一致 链 I; UniProt 28–417 链 M; UniProt 28–417 突变:alpha F55A of methylamine dehydrogenase Methylamine dehydrogenase, light chain × 2 (P22619) Amicyanin × 2 (P22364) CYTOCHROME C-L × 2 (P29889) PO4 PHOSPHATE ION × 4 CU COPPER (II) ION × 2 NA SODIUM ION × 2 HEC HEME C × 2 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, SITTING DROP;pH 5;295 K;phosphate, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K 分辨率 2.25 Å R-free 0.210

数据库中的同蛋白其他状态

以下每一行都是同一 UniProt 蛋白在另一个 PDB 条目中的 biological assembly, “相对当前条目”直接指出证据层面的不同;没有差异标签表示当前已读取字段一致。

共 7 个其他 PDB 条目、12 个 assembly。 打开独立比较页并筛选聚集状态

查看构建体与数据证据
UniProt名称 DHMH_PARDE
Isoform
PDB实体 1
链与序列区间 作者链 A; PDB构建体 1–390; UniProt 28–417 作者链 E; PDB构建体 1–390; UniProt 28–417 作者链 I; PDB构建体 1–390; UniProt 28–417 作者链 M; PDB构建体 1–390; UniProt 28–417

Methylamine dehydrogenase, light chain

Paracoccus denitrificans

UniProt P22619

当前结构中的状态

Assembly 聚集状态 构建体 突变与修饰 配体、离子与共同组分 实验方法与环境 结构质量
1 蛋白异源复合物 异源复合物 蛋白 × 8 PDB 声明:octameric(8) 与蛋白拷贝数一致 链 B; UniProt 58–188 链 F; UniProt 58–188 非标准单体:是(mmCIF未提供具体位点) Methylamine dehydrogenase, heavy chain × 2 (P29894) Amicyanin × 2 (P22364) CYTOCHROME C-L × 2 (P29889) PO4 PHOSPHATE ION × 4 CU COPPER (II) ION × 2 NA SODIUM ION × 2 HEC HEME C × 2 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, SITTING DROP;pH 5;295 K;phosphate, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K 分辨率 2.25 Å R-free 0.210
2 蛋白异源复合物 异源复合物 蛋白 × 8 PDB 声明:octameric(8) 与蛋白拷贝数一致 链 J; UniProt 58–188 链 N; UniProt 58–188 非标准单体:是(mmCIF未提供具体位点) Methylamine dehydrogenase, heavy chain × 2 (P29894) Amicyanin × 2 (P22364) CYTOCHROME C-L × 2 (P29889) PO4 PHOSPHATE ION × 4 CU COPPER (II) ION × 2 NA SODIUM ION × 2 HEC HEME C × 2 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, SITTING DROP;pH 5;295 K;phosphate, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K 分辨率 2.25 Å R-free 0.210

数据库中的同蛋白其他状态

以下每一行都是同一 UniProt 蛋白在另一个 PDB 条目中的 biological assembly, “相对当前条目”直接指出证据层面的不同;没有差异标签表示当前已读取字段一致。

共 28 个其他 PDB 条目、36 个 assembly。 打开独立比较页并筛选聚集状态

查看构建体与数据证据
UniProt名称 DHML_PARDE
Isoform
PDB实体 2
链与序列区间 作者链 B; PDB构建体 1–131; UniProt 58–188 作者链 F; PDB构建体 1–131; UniProt 58–188 作者链 J; PDB构建体 1–131; UniProt 58–188 作者链 N; PDB构建体 1–131; UniProt 58–188

Amicyanin

Paracoccus denitrificans

UniProt P22364

当前结构中的状态

Assembly 聚集状态 构建体 突变与修饰 配体、离子与共同组分 实验方法与环境 结构质量
1 蛋白异源复合物 异源复合物 蛋白 × 8 PDB 声明:octameric(8) 与蛋白拷贝数一致 链 C; UniProt 27–131 链 G; UniProt 27–131 未记录 Methylamine dehydrogenase, heavy chain × 2 (P29894) Methylamine dehydrogenase, light chain × 2 (P22619) CYTOCHROME C-L × 2 (P29889) PO4 PHOSPHATE ION × 4 CU COPPER (II) ION × 2 NA SODIUM ION × 2 HEC HEME C × 2 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, SITTING DROP;pH 5;295 K;phosphate, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K 分辨率 2.25 Å R-free 0.210
2 蛋白异源复合物 异源复合物 蛋白 × 8 PDB 声明:octameric(8) 与蛋白拷贝数一致 链 K; UniProt 27–131 链 O; UniProt 27–131 未记录 Methylamine dehydrogenase, heavy chain × 2 (P29894) Methylamine dehydrogenase, light chain × 2 (P22619) CYTOCHROME C-L × 2 (P29889) PO4 PHOSPHATE ION × 4 CU COPPER (II) ION × 2 NA SODIUM ION × 2 HEC HEME C × 2 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, SITTING DROP;pH 5;295 K;phosphate, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K 分辨率 2.25 Å R-free 0.210

数据库中的同蛋白其他状态

以下每一行都是同一 UniProt 蛋白在另一个 PDB 条目中的 biological assembly, “相对当前条目”直接指出证据层面的不同;没有差异标签表示当前已读取字段一致。

共 34 个其他 PDB 条目、56 个 assembly。 打开独立比较页并筛选聚集状态

查看构建体与数据证据
UniProt名称 AMCY_PARDE
Isoform
PDB实体 3
链与序列区间 作者链 C; PDB构建体 1–105; UniProt 27–131 作者链 G; PDB构建体 1–105; UniProt 27–131 作者链 K; PDB构建体 1–105; UniProt 27–131 作者链 O; PDB构建体 1–105; UniProt 27–131

CYTOCHROME C-L

Paracoccus denitrificans

UniProt P29889

当前结构中的状态

Assembly 聚集状态 构建体 突变与修饰 配体、离子与共同组分 实验方法与环境 结构质量
1 蛋白异源复合物 异源复合物 蛋白 × 8 PDB 声明:octameric(8) 与蛋白拷贝数一致 链 D; UniProt 631–635 链 H; UniProt 631–635 未记录 Methylamine dehydrogenase, heavy chain × 2 (P29894) Methylamine dehydrogenase, light chain × 2 (P22619) Amicyanin × 2 (P22364) PO4 PHOSPHATE ION × 4 CU COPPER (II) ION × 2 NA SODIUM ION × 2 HEC HEME C × 2 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, SITTING DROP;pH 5;295 K;phosphate, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K 分辨率 2.25 Å R-free 0.210
2 蛋白异源复合物 异源复合物 蛋白 × 8 PDB 声明:octameric(8) 与蛋白拷贝数一致 链 L; UniProt 631–635 链 P; UniProt 631–635 未记录 Methylamine dehydrogenase, heavy chain × 2 (P29894) Methylamine dehydrogenase, light chain × 2 (P22619) Amicyanin × 2 (P22364) PO4 PHOSPHATE ION × 4 CU COPPER (II) ION × 2 NA SODIUM ION × 2 HEC HEME C × 2 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, SITTING DROP;pH 5;295 K;phosphate, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K 分辨率 2.25 Å R-free 0.210

数据库中的同蛋白其他状态

以下每一行都是同一 UniProt 蛋白在另一个 PDB 条目中的 biological assembly, “相对当前条目”直接指出证据层面的不同;没有差异标签表示当前已读取字段一致。

共 1 个其他 PDB 条目、2 个 assembly。 打开独立比较页并筛选聚集状态

查看构建体与数据证据
UniProt名称 VF12_VACCP
Isoform
PDB实体 4
链与序列区间 作者链 D; PDB构建体 1–155; UniProt 631–635 作者链 H; PDB构建体 1–155; UniProt 631–635 作者链 L; PDB构建体 1–155; UniProt 631–635 作者链 P; PDB构建体 1–155; UniProt 631–635

页面优先展示蛋白身份、当前 assembly、共同组分、聚集状态和跨 PDB 结构链接。 链映射与序列区间收在“数据证据”中;数据库内部编号、导入时间和 assembly 操作表达式仅用于维护,因此不在读者页面展示。

SAXS 散射曲线 SAXS Profile

SAXS profile for 1mg2

P(r) 距离分布 P(r) Distribution

P(r) distribution for 1mg2
下载 Download

2. 结构基本信息 2. Structure Basics

条目编号 entry_id1mg2
沉积日期 deposition_date2002-08-14
结构标题 titleMUTATION OF ALPHA PHE55 OF METHYLAMINE DEHYDROGENASE ALTERS THE REORGANIZATION ENERGY AND ELECTRONIC COUPLING FOR ITS ELECTRON TRANSFER REACTION WITH AMICYANIN
关键词 keywordselectron transfer, methylamine dehydrogenase, cytochrome, blue copper protein, active site mutant, OXIDOREDUCTASE; OXIDOREDUCTASE
实验方法 methodX-RAY DIFFRACTION

3. SAXS 参数 (CRYSOL 理论计算) 3. SAXS Parameters (CRYSOL)

回转半径 Rg (Guinier) rg_guinier57.21
回转半径 Rg (电子) rg_electron57.10
零角强度 I(0) i01683790000.00
分子量 molecular_weight336850.0 kDa
排除体积 excluded_volume416630 ų
包络体积 envelope_volume594440 ų
水化壳体积 shell_volume84149 ų
包络直径 envelope_diameter209.1
壳层 Rg shell_rg63.78
包络 Rg envelope_rg55.40
形状 Rg shape_rg57.12
总 Rg total_rg57.20
总原子数 total_atoms23692
残基数 n_residues3032
球谐函数阶数 n_harmonics20
q 范围 q_range— – 0.5000 −1
数据点数 n_points101
壳层类型 shell_typedirectional
溶剂电子密度 solvent_density0.3340 e/ų
壳层衬度 contrast_shell0.0300 e/ų
CRYSOL 版本 crysol_version4.1.3

4. P(r) 距离分布 (GNOM 反演) 4. P(r) Analysis (GNOM)

最大尺寸 Dmax dmax191.7
Rg (实空间) rg_real57.17
Rg 误差 (实空间) rg_real_error1.76
I(0) (实空间) i0_real1.6840e+09
I(0) 误差 (实空间) i0_real_error3.2600e+07
Rg (倒空间) rg_reciprocal57.22
I(0) (倒空间) i0_reciprocal1684000000.0000
解质量估计 total_estimate0.8535
解质量评级 solution_quality GOOD a GOOD solution
P(r) 峰数 n_peaks3
主峰位置 r_peak_primary85.2
偏度 Skewness skewness0.153
峰度 Kurtosis kurtosis-0.588
角度范围 angular_range— – 0.1350 −1
当前正则化参数 α current_alpha0.0000
最高正则化参数 α highest_alpha147000000.0000
实空间数据点数 n_real_points28
GNOM 版本 gnom_version4.1.3
质量判据 quality_criteria AN1: 0.000; Oscil: 0.769; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.961; Smooth: 0.823

5. 晶体学与实验 5. Crystallography & Experiment

6. 实体与聚合物信息 Entities & Polymers (9)

7. 折叠分类 (SCOP + CATH) 32 domains

SCOP 2.08 (16 domains)

结构域编号 domain_idd1mg2a_
类 Class classb — All beta proteins
折叠类型 Fold foldb.69 — 7-bladed beta-propeller
超家族 Superfamily superfamilyb.69.2 — YVTN repeat-like/Quinoprotein amine dehydrogenase
家族 Family familyb.69.2.1 — Methylamine dehydrogenase, H-chain
结构域编号 domain_idd1mg2b_
类 Class classg — Small proteins
折叠类型 Fold foldg.21 — Methylamine dehydrogenase, L chain
超家族 Superfamily superfamilyg.21.1 — Methylamine dehydrogenase, L chain
家族 Family familyg.21.1.1 — Methylamine dehydrogenase, L chain
结构域编号 domain_idd1mg2c_
类 Class classb — All beta proteins
折叠类型 Fold foldb.6 — Cupredoxin-like
超家族 Superfamily superfamilyb.6.1 — Cupredoxins
家族 Family familyb.6.1.1 — Plastocyanin/azurin-like
结构域编号 domain_idd1mg2d_
类 Class classa — All alpha proteins
折叠类型 Fold folda.3 — Cytochrome c
超家族 Superfamily superfamilya.3.1 — Cytochrome c
家族 Family familya.3.1.1 — monodomain cytochrome c
结构域编号 domain_idd1mg2e_
类 Class classb — All beta proteins
折叠类型 Fold foldb.69 — 7-bladed beta-propeller
超家族 Superfamily superfamilyb.69.2 — YVTN repeat-like/Quinoprotein amine dehydrogenase
家族 Family familyb.69.2.1 — Methylamine dehydrogenase, H-chain
结构域编号 domain_idd1mg2f_
类 Class classg — Small proteins
折叠类型 Fold foldg.21 — Methylamine dehydrogenase, L chain
超家族 Superfamily superfamilyg.21.1 — Methylamine dehydrogenase, L chain
家族 Family familyg.21.1.1 — Methylamine dehydrogenase, L chain
结构域编号 domain_idd1mg2g_
类 Class classb — All beta proteins
折叠类型 Fold foldb.6 — Cupredoxin-like
超家族 Superfamily superfamilyb.6.1 — Cupredoxins
家族 Family familyb.6.1.1 — Plastocyanin/azurin-like
结构域编号 domain_idd1mg2h_
类 Class classa — All alpha proteins
折叠类型 Fold folda.3 — Cytochrome c
超家族 Superfamily superfamilya.3.1 — Cytochrome c
家族 Family familya.3.1.1 — monodomain cytochrome c
结构域编号 domain_idd1mg2i_
类 Class classb — All beta proteins
折叠类型 Fold foldb.69 — 7-bladed beta-propeller
超家族 Superfamily superfamilyb.69.2 — YVTN repeat-like/Quinoprotein amine dehydrogenase
家族 Family familyb.69.2.1 — Methylamine dehydrogenase, H-chain
结构域编号 domain_idd1mg2j_
类 Class classg — Small proteins
折叠类型 Fold foldg.21 — Methylamine dehydrogenase, L chain
超家族 Superfamily superfamilyg.21.1 — Methylamine dehydrogenase, L chain
家族 Family familyg.21.1.1 — Methylamine dehydrogenase, L chain
结构域编号 domain_idd1mg2k_
类 Class classb — All beta proteins
折叠类型 Fold foldb.6 — Cupredoxin-like
超家族 Superfamily superfamilyb.6.1 — Cupredoxins
家族 Family familyb.6.1.1 — Plastocyanin/azurin-like
结构域编号 domain_idd1mg2l_
类 Class classa — All alpha proteins
折叠类型 Fold folda.3 — Cytochrome c
超家族 Superfamily superfamilya.3.1 — Cytochrome c
家族 Family familya.3.1.1 — monodomain cytochrome c
结构域编号 domain_idd1mg2m_
类 Class classb — All beta proteins
折叠类型 Fold foldb.69 — 7-bladed beta-propeller
超家族 Superfamily superfamilyb.69.2 — YVTN repeat-like/Quinoprotein amine dehydrogenase
家族 Family familyb.69.2.1 — Methylamine dehydrogenase, H-chain
结构域编号 domain_idd1mg2n_
类 Class classg — Small proteins
折叠类型 Fold foldg.21 — Methylamine dehydrogenase, L chain
超家族 Superfamily superfamilyg.21.1 — Methylamine dehydrogenase, L chain
家族 Family familyg.21.1.1 — Methylamine dehydrogenase, L chain
结构域编号 domain_idd1mg2o_
类 Class classb — All beta proteins
折叠类型 Fold foldb.6 — Cupredoxin-like
超家族 Superfamily superfamilyb.6.1 — Cupredoxins
家族 Family familyb.6.1.1 — Plastocyanin/azurin-like
结构域编号 domain_idd1mg2p_
类 Class classa — All alpha proteins
折叠类型 Fold folda.3 — Cytochrome c
超家族 Superfamily superfamilya.3.1 — Cytochrome c
家族 Family familya.3.1.1 — monodomain cytochrome c

CATH v4.4 (16 domains)

结构域编号 domain_id1mg2A00
类 Class class2 — Mainly Beta
架构 Architecture architecture130 — 7 Propeller
拓扑 Topology topology10 — Methylamine Dehydrogenase; Chain H
同源超家族 H-superfamily homologous superfamily10 — YVTN repeat-like/Quinoprotein amine dehydrogenase
结构域编号 domain_id1mg2B00
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology30 — Electron Transport Ethylamine Dehydrogenase
同源超家族 H-superfamily homologous superfamily10 — Methylamine/Aralkylamine dehydrogenase light chain
结构域编号 domain_id1mg2C00
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily420 — Cupredoxins - blue copper proteins
结构域编号 domain_id1mg2D00
类 Class class1 — Mainly Alpha
架构 Architecture architecture10 — Orthogonal Bundle
拓扑 Topology topology760 — Cytochrome Bc1 Complex; Chain D, domain 2
同源超家族 H-superfamily homologous superfamily10 — Cytochrome c-like domain
结构域编号 domain_id1mg2E00
类 Class class2 — Mainly Beta
架构 Architecture architecture130 — 7 Propeller
拓扑 Topology topology10 — Methylamine Dehydrogenase; Chain H
同源超家族 H-superfamily homologous superfamily10 — YVTN repeat-like/Quinoprotein amine dehydrogenase
结构域编号 domain_id1mg2F00
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology30 — Electron Transport Ethylamine Dehydrogenase
同源超家族 H-superfamily homologous superfamily10 — Methylamine/Aralkylamine dehydrogenase light chain
结构域编号 domain_id1mg2G00
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily420 — Cupredoxins - blue copper proteins
结构域编号 domain_id1mg2H00
类 Class class1 — Mainly Alpha
架构 Architecture architecture10 — Orthogonal Bundle
拓扑 Topology topology760 — Cytochrome Bc1 Complex; Chain D, domain 2
同源超家族 H-superfamily homologous superfamily10 — Cytochrome c-like domain
结构域编号 domain_id1mg2I00
类 Class class2 — Mainly Beta
架构 Architecture architecture130 — 7 Propeller
拓扑 Topology topology10 — Methylamine Dehydrogenase; Chain H
同源超家族 H-superfamily homologous superfamily10 — YVTN repeat-like/Quinoprotein amine dehydrogenase
结构域编号 domain_id1mg2J00
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology30 — Electron Transport Ethylamine Dehydrogenase
同源超家族 H-superfamily homologous superfamily10 — Methylamine/Aralkylamine dehydrogenase light chain
结构域编号 domain_id1mg2K00
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily420 — Cupredoxins - blue copper proteins
结构域编号 domain_id1mg2L00
类 Class class1 — Mainly Alpha
架构 Architecture architecture10 — Orthogonal Bundle
拓扑 Topology topology760 — Cytochrome Bc1 Complex; Chain D, domain 2
同源超家族 H-superfamily homologous superfamily10 — Cytochrome c-like domain
结构域编号 domain_id1mg2M00
类 Class class2 — Mainly Beta
架构 Architecture architecture130 — 7 Propeller
拓扑 Topology topology10 — Methylamine Dehydrogenase; Chain H
同源超家族 H-superfamily homologous superfamily10 — YVTN repeat-like/Quinoprotein amine dehydrogenase
结构域编号 domain_id1mg2N00
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology30 — Electron Transport Ethylamine Dehydrogenase
同源超家族 H-superfamily homologous superfamily10 — Methylamine/Aralkylamine dehydrogenase light chain
结构域编号 domain_id1mg2O00
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily420 — Cupredoxins - blue copper proteins
结构域编号 domain_id1mg2P00
类 Class class1 — Mainly Alpha
架构 Architecture architecture10 — Orthogonal Bundle
拓扑 Topology topology760 — Cytochrome Bc1 Complex; Chain D, domain 2
同源超家族 H-superfamily homologous superfamily10 — Cytochrome c-like domain

8. 引用文献 (2)

9. 文件与曲线 (10)